%chk=000049159.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049159

0 1
 O  -0.8272000      0.6218000      -2.436900    
 O   -1.352100     -0.1658000       2.050600    
 O    1.613700       2.467400      0.5169000    
 N  -0.1953000       2.247000     -0.9537000    
 N  -0.4675000       1.836900       1.382000    
 C  -0.2893000     -8.9400001E-02 -0.1555000    
 C   -1.160700      -1.324500     -0.4749000    
 C    1.171400     -0.5812000     -6.9600001E-02
 C  -0.4800000      0.9389000      -1.299200    
 C  -0.7710000      0.5013000       1.194500    
 C   0.2102000       2.618800      0.3785000    
 C   -2.604900     -0.9489000     -0.5734000    
 C    1.945600     -0.6344000      -1.221400    
 C    1.693600     -0.9647000       1.158700    
 C    3.265700      -1.078600      -1.143300    
 C    3.013600      -1.409100       1.236700    
 C   -3.560200      -1.464100      0.2139000    
 C    3.799900      -1.465800      8.5800000E-02
 C   -5.005500      -1.105400      0.1104000    
 H  -0.8627000      -1.779600      -1.429200    
 H   -1.018500      -2.106000      0.2845000    
 H  -4.7600001E-02   3.670400      0.5351000    
 H  -0.2584000       2.965900      -1.667800    
 H  -0.7168000       2.275800       2.263000    
 H   -2.906900     -0.2491000      -1.347300    
 H    1.559600     -0.3574000      -2.196400    
 H    1.111600     -0.9513000       2.073600    
 H    3.876800      -1.126800      -2.039900    
 H    3.428600      -1.714700       2.192800    
 H   -3.293500      -2.183500      0.9837000    
 H    4.827100      -1.813300      0.1464000    
 H    2.016200       2.855600     -0.2781000    
 H   -5.597300      -2.001200     -0.1018000    
 H   -5.197300     -0.3745000     -0.6814000    
 H   -5.352100     -0.6805000       1.057400    


%chk=000049159-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049159

0 1
O -0.686623 0.640886 -2.457308
O -1.173565 -0.265142 2.186910
O 1.556936 2.919299 0.692552
N -0.191900 2.254143 -0.878768
N -0.484799 1.807497 1.438271
C -0.314440 -0.119038 -0.129406
C -1.206272 -1.366211 -0.461530
C 1.186302 -0.546629 -0.079716
C -0.439460 0.939619 -1.255162
C -0.717299 0.448531 1.251804
C 0.121360 2.712315 0.469457
C -2.669259 -1.039138 -0.689654
C 1.859737 -0.852009 -1.293594
C 1.884467 -0.701434 1.146708
C 3.201385 -1.288825 -1.278748
C 3.229542 -1.139193 1.156652
C -3.665608 -1.350568 0.180190
C 3.894602 -1.432372 -0.054226
C -5.131630 -1.054336 -0.040548
H -0.780857 -1.833071 -1.368318
H -1.094302 -2.072785 0.378831
H -0.279311 3.728588 0.614313
H -0.141656 2.941808 -1.634463
H -0.647199 2.169060 2.381496
H -2.908559 -0.530504 -1.634845
H 1.332310 -0.741377 -2.247782
H 1.377837 -0.515030 2.099562
H 3.705078 -1.518491 -2.224254
H 3.750767 -1.257468 2.113137
H -3.400722 -1.845496 1.126910
H 4.935971 -1.772189 -0.044779
H 2.033635 2.049693 0.601805
H -5.733156 -1.984517 -0.029537
H -5.302181 -0.547096 -1.006711
H -5.532327 -0.408518 0.765451


